General Information of the Compound
| Compound ID |
CP0463787
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| Compound Name |
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-[4-(2,2-dimethyl-propyl)-piperazin-1-yl]-propan-1-one
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| Structure |
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| Formula |
C27H33Cl2N3O
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| Molecular Weight |
486.487
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| Canonical SMILES |
Cn1c(c(CCC(=O)N2CCN(CC(C)(C)C)CC2)c2cc(Cl)ccc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H33Cl2N3O/c1-27(2,3)18-31-13-15-32(16-14-31)25(33)12-10-22-23-17-21(29)9-11-24(23)30(4)26(22)19-5-7-20(28)8-6-19/h5-9,11,17H,10,12-16,18H2,1-4H3
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| InChIKey |
PONFEEVYOJAPRZ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound